![1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone structure](/static/products/856/85690-26-2.png)
1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone
TL;DR: 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone (CAS 85690-26-2) is a chemical compound with molecular formula C14H12OS2 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone
Also Known As: 1-(4,9-dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone, AE-641/30102044, 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone
| Molecular Formula | C14H12OS2 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 4.1472 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.03296 |
| Heavy Atoms | 17 |
| Complexity | 583.6582 |
Chemical Identifiers
| CAS Number | 85690-26-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(S1)SCC3=CC=CC=C3C2 |
Product Overview
1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone (CAS 85690-26-2), with molecular formula C14H12OS2 and molecular weight 260.03 g/mol. IUPAC: 1-(5,10-dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone.
Chemical Property Profile of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone
Property Insights of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone
The XLogP value of 4.1472 indicates that 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone?
The CAS number of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone is 85690-26-2.
What is the molecular formula of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone?
The molecular formula of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone is C14H12OS2.
What is the molecular weight of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone?
The molecular weight of 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone is 260.03 g/mol.
Where can I buy 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone?
You can request a quote for 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,9-Dihydrothieno[2,3-c][2]benzothiepin-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.